General Information of the Compound
| Compound ID |
CP0487250
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| Compound Name |
N-[8-ethyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(4-fluorophenyl)benzamide
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| Structure |
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| Formula |
C29H28FN3O
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| Molecular Weight |
453.561
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| Canonical SMILES |
CCc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12
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| InChI |
InChI=1S/C29H28FN3O/c1-2-26-27(14-11-24-17-20(18-31-28(24)26)19-33-15-3-4-16-33)32-29(34)23-7-5-21(6-8-23)22-9-12-25(30)13-10-22/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,34)
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| InChIKey |
VSJSFVNMEJWOQG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01027, Melanin-concentrating hormone receptor 1